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Compound Detail

CHEMBL4597708

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COc1ccc2c(c1)c(-c1[nH]c3nccc[n+]3c1C)cn2S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597708
Phase Preclinical
Structure Type MOL
InChI Key QRVNHTRPNWEKCX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.32
ALogP
5
HBA
1
HBD
81.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N4O3S+
MW 419.49
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine